N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide

C13H26N2O2S — CID 54972553

IUPACN-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C13H26N2O2S/c1-15(10-12-6-3-2-4-7-12)18(16,17)11-13-8-5-9-14-13/h12-14H,2-11H2,1H3
InChIKeyNDJGWTAMKOCFPC-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds5

About N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide

N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972553) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972553
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C13H26N2O2S/c1-15(10-12-6-3-2-4-7-12)18(16,17)11-13-8-5-9-14-13/h12-14H,2-11H2,1H3
InChIKeyNDJGWTAMKOCFPC-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972553) is N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide is CN(CC1CCCCC1)S(=O)(=O)CC1CCCN1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is NDJGWTAMKOCFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-15(10-12-6-3-2-4-7-12)18(16,17)11-13-8-5-9-14-13/h12-14H,2-11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide?
N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).